ethyl 4-cyano-3-methyl-5-{2-[(5-{2-[(5-methylfuran-2-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}thiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 4-cyano-3-methyl-5-{2-[(5-{2-[(5-methylfuran-2-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}thiophene-2-carboxylate
ethyl 4-cyano-3-methyl-5-{2-[(5-{2-[(5-methylfuran-2-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y502-2950 |
| Compound Name: | ethyl 4-cyano-3-methyl-5-{2-[(5-{2-[(5-methylfuran-2-yl)methylidene]hydrazinyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}thiophene-2-carboxylate |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C19 H19 N7 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C#N)c(NC(CSc2nnc(N/N=C/c3ccc(C)o3)[nH]2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5011 |
| logD: | 1.6037 |
| logSw: | -2.7259 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.033 |
| InChI Key: | YLZHLHQJDHGQGE-UHFFFAOYSA-N |